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Compound Detail

CHEMBL99470

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CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCc3ccccc3)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99470
Phase Preclinical
Structure Type MOL
InChI Key LZTGBXJAMRNXLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
7.02
ALogP
6
HBA
0
HBD
62.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N2O4
MW 510.63
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
9873643 10.1016/s0960-894x(98)00508-3 Phosphodiesterase 3 1
9873643 10.1016/s0960-894x(98)00508-3 3',5'-cyclic-AMP phosphodiesterase 4A 1
9873643 10.1016/s0960-894x(98)00508-3 3',5'-cyclic-AMP phosphodiesterase 4B 1
9873643 10.1016/s0960-894x(98)00508-3 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine